CID 45790067

363185-87-9

Structural Information

Molecular Formula
C14H20BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)N)C(=O)OC
InChI
InChI=1S/C14H20BNO4/c1-13(2)14(3,4)20-15(19-13)9-6-7-11(16)10(8-9)12(17)18-5/h6-8H,16H2,1-5H3
InChIKey
DQZPCTKBZUCRNT-UHFFFAOYSA-N
Compound name
methyl 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

277.14853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.15581 160.2
[M+Na]+ 300.13775 170.7
[M+NH4]+ 295.18235 169.6
[M+K]+ 316.11169 165.3
[M-H]- 276.14125 165.3
[M+Na-2H]- 298.12320 166.6
[M]+ 277.14798 163.3
[M]- 277.14908 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe